2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide

C15H17FN2O2S — CID 111433392

IUPAC2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide
SMILESCC(O)CCNC(=O)c1csc(Cc2ccccc2F)n1
InChIInChI=1S/C15H17FN2O2S/c1-10(19)6-7-17-15(20)13-9-21-14(18-13)8-11-4-2-3-5-12(11)16/h2-5,9-10,19H,6-8H2,1H3,(H,17,20)
InChIKeyNDUVTTPKPHYQHL-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.37
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide

2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide (PubChem CID 111433392) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide
PubChem CID111433392
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide
SMILESCC(O)CCNC(=O)c1csc(Cc2ccccc2F)n1
InChIInChI=1S/C15H17FN2O2S/c1-10(19)6-7-17-15(20)13-9-21-14(18-13)8-11-4-2-3-5-12(11)16/h2-5,9-10,19H,6-8H2,1H3,(H,17,20)
InChIKeyNDUVTTPKPHYQHL-UHFFFAOYSA-N
XLogP2.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119235215
N-(3-aminobutyl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119497113
2-[(2-fluorophenyl)methyl]-N-[3-(4-hydroxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 86972972
2-[(2-fluorophenyl)methyl]-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 71983107
2-[(2-fluorophenyl)methyl]-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 97319342
3-[[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190688
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
2-[cyclopropyl-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119203417
2-[(2-fluorophenyl)methyl]-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 111460007
2-[(3-fluorophenyl)methyl]-N-(3-hydroxy-4-methoxybutyl)-1,3-thiazole-4-carboxamide
CID 110021786
2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622303
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide (CID 111433392) is 2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide is CC(O)CCNC(=O)c1csc(Cc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NDUVTTPKPHYQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10(19)6-7-17-15(20)13-9-21-14(18-13)8-11-4-2-3-5-12(11)16/h2-5,9-10,19H,6-8H2,1H3,(H,17,20).
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide?
2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111433392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).